SCHEMBL22068057

SCHEMBL22068057

C/C(=C/c1ccc(N(C)C)cc1)COC(=O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 13/20 0.44
MAPT P10636 10/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 7/20 0.43
MEN1 O00255 4/20 0.43
PSMD14 O00487 1/20 0.43
JAK2 O60674 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5855592 0.75 MEN1 (0.46) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL5855587 0.75 MEN1 (0.46) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1087741 0.72 APP (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11983560 0.72 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10049644 0.70 PTGS1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22693249 0.70 MEN1 (0.51) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL13383124 0.69 APP (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5950256 0.69 AKR1C3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5950254 0.69 AKR1C3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL701808 0.68 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181363-A1 BLUE LIGHT BLOCKING SYSTEM CONTAINING PYRAZOLINE OR/AND PHENYLACRYLIC COMPOUNDS EUTEC NEW MATERIALS TECHNOLOGY (SUZHOU) CO., LTD. (CN) 2020-06-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200181363-A1 BLUE LIGHT BLOCKING SYSTEM CONTAINING PYRAZOLINE OR/AND PHENYLACRYLIC COMPOUNDS CUTA, PASK, SERPINE1 HDAC3 3903/4885HDAC4 2794/4885HDAC1 2128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.